6-(2,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine

C12H10Cl2N2S — CID 79176848

IUPAC6-(2,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine
SMILESCc1cc(Sc2cc(Cl)ccc2Cl)ncc1N
InChIInChI=1S/C12H10Cl2N2S/c1-7-4-12(16-6-10(7)15)17-11-5-8(13)2-3-9(11)14/h2-6H,15H2,1H3
InChIKeyYXFRJDCYDYJRET-UHFFFAOYSA-N
MW285.20 g/mol
LogP4.43
Rot. Bonds2

About 6-(2,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine

6-(2,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine (PubChem CID 79176848) has the molecular formula C12H10Cl2N2S and a molecular weight of 285.20 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine
PubChem CID79176848
Molecular FormulaC12H10Cl2N2S
Molecular Weight285.20 g/mol
Exact Mass283.99
IUPAC Name6-(2,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine
SMILESCc1cc(Sc2cc(Cl)ccc2Cl)ncc1N
InChIInChI=1S/C12H10Cl2N2S/c1-7-4-12(16-6-10(7)15)17-11-5-8(13)2-3-9(11)14/h2-6H,15H2,1H3
InChIKeyYXFRJDCYDYJRET-UHFFFAOYSA-N
XLogP4.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine?
The IUPAC name of 6-(2,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine (CID 79176848) is 6-(2,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine.
What is the SMILES notation for 6-(2,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine?
The canonical SMILES for 6-(2,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine is Cc1cc(Sc2cc(Cl)ccc2Cl)ncc1N.
What is the InChIKey of 6-(2,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine?
The InChIKey is YXFRJDCYDYJRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2S/c1-7-4-12(16-6-10(7)15)17-11-5-8(13)2-3-9(11)14/h2-6H,15H2,1H3.
What are the key properties of 6-(2,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine?
6-(2,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine has a molecular weight of 285.20 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine is sourced from PubChem (CID 79176848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).